4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline

C23H34N4O — CID 159454325

IUPAC4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
SMILESNc1ccc(CN2CCCCC2)cc1.Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H18N2.C11H16N2O/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h4-7H,1-3,8-10,13H2;1-4H,5-9,12H2
InChIKeyLTTSUUFPBSIPQJ-UHFFFAOYSA-N
MW382.55 g/mol
LogP3.36
Rot. Bonds4

About 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline

4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline (PubChem CID 159454325) has the molecular formula C23H34N4O and a molecular weight of 382.55 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline.

Molecular Properties

Compound Name4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
PubChem CID159454325
Molecular FormulaC23H34N4O
Molecular Weight382.55 g/mol
Exact Mass382.27
IUPAC Name4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline
SMILESNc1ccc(CN2CCCCC2)cc1.Nc1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C12H18N2.C11H16N2O/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h4-7H,1-3,8-10,13H2;1-4H,5-9,12H2
InChIKeyLTTSUUFPBSIPQJ-UHFFFAOYSA-N
XLogP3.36
TPSA67.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
4-(azacyclododec-1-ylmethyl)aniline
CID 70405299
4-[[4-[4-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]morpholine
CID 44588214
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
1-(bromomethyl)-4-nitrobenzene;4-(morpholin-4-ylmethyl)aniline
CID 160506473
4-[(4-fluoropiperidin-1-yl)methyl]aniline
CID 68980822
4-(1,4-diazepan-1-ylmethyl)aniline
CID 82162727
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
3-[4-(morpholin-4-ylmethyl)phenyl]propan-1-amine
CID 83384330
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113
sodium [4-(piperidin-1-ylmethyl)phenyl]methanolate
CID 86608799

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline?
The IUPAC name of 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline (CID 159454325) is 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline.
What is the SMILES notation for 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline?
The canonical SMILES for 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline is Nc1ccc(CN2CCCCC2)cc1.Nc1ccc(CN2CCOCC2)cc1.
What is the InChIKey of 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline?
The InChIKey is LTTSUUFPBSIPQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C11H16N2O/c13-12-6-4-11(5-7-12)10-14-8-2-1-3-9-14;12-11-3-1-10(2-4-11)9-13-5-7-14-8-6-13/h4-7H,1-3,8-10,13H2;1-4H,5-9,12H2.
What are the key properties of 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline?
4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline has a molecular weight of 382.55 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethyl)aniline;4-(piperidin-1-ylmethyl)aniline is sourced from PubChem (CID 159454325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).